Information card for entry 2211694

Structure parameters

• Chemical name: N,N'-(2-Hydroxy-3-methoxybenzyl)benzene-1,4-diamine
• Formula: C22 H24 N2 O4
• Calculated formula: C22 H24 N2 O4
• SMILES: COc1cccc(c1O)CNc1ccc(cc1)NCc1cccc(c1O)OC
• Title of publication: <i>N</i>,<i>N</i>'-(2-Hydroxy-3-methoxybenzyl)benzene-1,4-diamine
• Authors of publication: H.-T. Xia; Y.-F. Liu; S.-P. Yang; D.-Q. Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o40 - o41
• a: 11.308 ± 0.002 Å
• b: 16.736 ± 0.003 Å
• c: 10.325 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes